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113451-20-0 | Naphthalene, 1-[bis(phenylthio)methyl]-
CAS No: 113451-20-0 Catalog No: AG0008NS MDL No:
Product Description
Catalog Number:
AG0008NS
Chemical Name:
Naphthalene, 1-[bis(phenylthio)methyl]-
CAS Number:
113451-20-0
Molecular Formula:
C23H18S2
Molecular Weight:
358.5190
IUPAC Name:
1-[bis(phenylsulfanyl)methyl]naphthalene
InChI:
InChI=1S/C23H18S2/c1-3-12-19(13-4-1)24-23(25-20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22/h1-17,23H
InChI Key:
ZDOTXBHWTOOLFC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)SC(c1cccc2c1cccc2)Sc1ccccc1
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.085g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.517g/mol
Monoisotopic Mass:
358.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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